2-Butanol, 2-methyl-1-nitro-

Base Information

• Chemical Name: 2-Butanol, 2-methyl-1-nitro-
• CAS No.: 22916-76-3
• Molecular Formula: C5H11NO3
• Molecular Weight: 133.147
• DSSTox Substance ID: DTXSID50451583
• Nikkaji Number: J1.135.106I
• Mol file: 22916-76-3.mol

Synonyms:2-Butanol, 2-methyl-1-nitro-;22916-76-3;1-Nitro-2-methyl-2-butanol;DTXSID50451583

Chemical Property of 2-Butanol, 2-methyl-1-nitro-

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 133.07389321
• Heavy Atom Count: 9
• Complexity: 109

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C[N+](=O)[O-])O

Technology Process of 2-Butanol, 2-methyl-1-nitro-

There total 4 articles about 2-Butanol, 2-methyl-1-nitro- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 27.0%

nitromethane (75-52-5) + butanone (78-93-3) → 2-methyl-1-nitrobutan-2-ol (22916-76-3) + 2-methyl-1-nitro-2-(nitromethyl)butane (14035-97-3)

Guidance literature:

With P(MeNCH₂CH₂)3N; magnesium sulfate; for 18h; Ambient temperature;

DOI:10.1021/jo9818733

Reference yield:

methylbutane (78-78-4) → tert-Amyl alcohol (75-85-4) + 2-methyl-2-nitrobutane (595-42-6) + 2-methyl-1-nitrobut-1-ene (68837-76-3,7409-20-3) + 2-methyl-1-nitrobutan-2-ol (22916-76-3)

Guidance literature:

at 120 ℃; under 10297.1 Torr; in Stickstoff-Atmosphaere; andere Produkt:Nitromethan;

Reference yield:

nitromethane (75-52-5) + butanone (78-93-3) → 2-methyl-1-nitrobutan-2-ol (22916-76-3) + 2-methyl-1-nitro-2-(nitromethyl)butane (14035-97-3)

Guidance literature:

je nach den Reaktionsbedingungen;analog reagieren andere aliphatische Ketone wie z.B_. Diaethylketon;

upstream raw materials:

nitromethane

butanone

piperidine

methylbutane

Downstream raw materials:

2-methyl-1-nitro-2-(nitromethyl)butane

Benzoic acid 3-methylene-2-nitro-pentyl ester